2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide

C20H14ClN3O3 — CID 46202554

IUPAC2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide
SMILESCOc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4ccccn4)c3[nH]c12
InChIInChI=1S/C20H14ClN3O3/c1-27-15-6-4-5-12-18(15)24-17-13(19(12)25)9-11(21)10-14(17)20(26)23-16-7-2-3-8-22-16/h2-10H,1H3,(H,24,25)(H,22,23,26)
InChIKeyKDNNHRBPAAZBDF-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide

2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide (PubChem CID 46202554) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide
PubChem CID46202554
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide
SMILESCOc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4ccccn4)c3[nH]c12
InChIInChI=1S/C20H14ClN3O3/c1-27-15-6-4-5-12-18(15)24-17-13(19(12)25)9-11(21)10-14(17)20(26)23-16-7-2-3-8-22-16/h2-10H,1H3,(H,24,25)(H,22,23,26)
InChIKeyKDNNHRBPAAZBDF-UHFFFAOYSA-N
XLogP3.99
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide?
The IUPAC name of 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide (CID 46202554) is 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide is COc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4ccccn4)c3[nH]c12.
What is the InChIKey of 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide?
The InChIKey is KDNNHRBPAAZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-27-15-6-4-5-12-18(15)24-17-13(19(12)25)9-11(21)10-14(17)20(26)23-16-7-2-3-8-22-16/h2-10H,1H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide?
2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-9-oxo-N-pyridin-2-yl-10H-acridine-4-carboxamide is sourced from PubChem (CID 46202554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).